1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine

C20H28N2O3 — CID 161217087

IUPAC1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)n1cc(C(=O)O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C16H17NO3.C4H11N/c1-16(2,3)17-10-12(15(19)20)14(18)9-13(17)11-7-5-4-6-8-11;1-4(2,3)5/h4-10H,1-3H3,(H,19,20);5H2,1-3H3
InChIKeyUWZWYCUNHRDNKH-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.71
Rot. Bonds2

About 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine

1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine (PubChem CID 161217087) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine
PubChem CID161217087
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)n1cc(C(=O)O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C16H17NO3.C4H11N/c1-16(2,3)17-10-12(15(19)20)14(18)9-13(17)11-7-5-4-6-8-11;1-4(2,3)5/h4-10H,1-3H3,(H,19,20);5H2,1-3H3
InChIKeyUWZWYCUNHRDNKH-UHFFFAOYSA-N
XLogP3.71
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine?
The IUPAC name of 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine (CID 161217087) is 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine.
What is the SMILES notation for 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine?
The canonical SMILES for 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine is CC(C)(C)N.CC(C)(C)n1cc(C(=O)O)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine?
The InChIKey is UWZWYCUNHRDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3.C4H11N/c1-16(2,3)17-10-12(15(19)20)14(18)9-13(17)11-7-5-4-6-8-11;1-4(2,3)5/h4-10H,1-3H3,(H,19,20);5H2,1-3H3.
What are the key properties of 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine?
1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine has a molecular weight of 344.46 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine is sourced from PubChem (CID 161217087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).